ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate

C13H19NO3 — CID 28574259

IUPACethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
SMILESCCOC(=O)CNCCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-3-17-13(15)10-14-9-8-11-4-6-12(16-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3
InChIKeyVAQOWYGNWHDRHQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.39
Rot. Bonds7

About ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate

ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate (PubChem CID 28574259) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
PubChem CID28574259
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
SMILESCCOC(=O)CNCCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-3-17-13(15)10-14-9-8-11-4-6-12(16-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3
InChIKeyVAQOWYGNWHDRHQ-UHFFFAOYSA-N
XLogP1.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate
CID 103232754
methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate
CID 115233033
ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
CID 115257468
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182
N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001189
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-phenylacetamide
CID 109001184
2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210163
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
2-[2-(4-methoxyphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109001188
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
ethyl 2-[2-(4-methoxyphenyl)ethylsulfanyl]acetate
CID 78790188

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate?
The IUPAC name of ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate (CID 28574259) is ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate is CCOC(=O)CNCCc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate?
The InChIKey is VAQOWYGNWHDRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-17-13(15)10-14-9-8-11-4-6-12(16-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate?
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate has a molecular weight of 237.30 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate is sourced from PubChem (CID 28574259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).